Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (92/99 = 93%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay | J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A] (92/99 = 93%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.240 | -57.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A] (90/99 = 91%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599] (99/99 = 100%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.480 | -55.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M] (89/99 = 90%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay | J Med Chem 53: 607-15 (2010) Article DOI: 10.1021/jm901165g BindingDB Entry DOI: 10.7270/Q29Z97R7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,V583F] (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.560 | -54.9 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A,V564F] (91/99 = 92%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M] (87/99 = 88%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,L579M] (88/99 = 89%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease expressed in Escherichia coli | J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... | J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc Curated by ChEMBL | Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f... | ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a... | ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of KwaZulu-Natal Curated by ChEMBL | Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A... | Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometri... | Citation and Details Article DOI: 10.1007/s00044-012-0350-1 BindingDB Entry DOI: 10.7270/Q2FR00JD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of KwaZulu-Natal Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-... | Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (98/99 = 99%)† (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (94/99 = 95%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV1 NL4-3 protease assessed as decrease in viral replication in human MT2 cells after 4 days by luciferase reporter gene assay | J Med Chem 61: 4176-4188 (2018) Article DOI: 10.1021/acs.jmedchem.8b00277 BindingDB Entry DOI: 10.7270/Q2QF8WGP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |